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theonellamide E


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  • Norine ID: NOR00569
  • DOI: 10.26097/nor00569
  • Family: theonellamide
  • Synonym(s): theonellamide E;
  • Activity: toxin
  • Class: glycopeptide
  • Formula: C75H97Br2N16O27
  • Monoisotopic mass: 1811.507582978 g/mol
  • Comment: Theonellamides are putative NRPS products (no synthetase genes identified)
  • Source: norine
  • Contributor (creation): Norine Team [CRIStAL (UMR CNRS 9189), ex-LIFL, France, Charles Viollette Institute, ProBioGEM team, Lille, France, University of Lille, France]
  • Entry information:
    • status: putative
    • last modification date: 2018-12-01 by Emma Ricart Altimiras [Swiss Institute of Bioinformatics, SIB]
    • view all entry history
  • Type: double cyclic
  • Number of monomers: 13
  • Smiles: C[C@@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H]2CN3C=C(C[C@@H](C(=O)N1)NC(=O)C[C@@H](C[C@H](NC(=O)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(=O)N)[C@H](C(=O)N)O)CC4=CC=C(C=C4)Br)C(=O)[O-])O)[N+](=C3)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CO)[C@H](/C=C(\C)/C=C/C6=CC=C(C=C6)Br)O)CC7=CC=CC=C7)CO)O

  • Graph inference:



  • Monomeric composition :
    1
    Ser
    2
    C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8)
    3
    Phe
    4
    Ser
    5
    aThr
    6
    His
    7
    Ahad
    8
    bAla
    9
    Br-Phe
    10
    OH-Asn
    11
    Asn
    12
    Ala
    13
    bD-Gal
  • Graph representation: Ser,C8:2(5.7)-Me(6)-OH(4)-NH2(3)-brPh(8),Phe,Ser,aThr,His,Ahad,bAla,Br-Phe,OH-Asn,Asn,Ala,bD-Gal @11,1 @0,2 @1,3 @2,4 @3,5 @4,6,11,12 @5,7 @6,8 @7,9 @8,10 @9,11 @0,10,5 @5

  • Atomic structure:
  • Chemical structure
    rBAN vizualisation:
  • Theonella sp.
  • gram:
  • synonyms:
  • taxid: 73791 (view NCBI taxonomy browser)

  • Links between organisms producing the theonellamide E: Theonella sp.
  • Theonellamides A-E, cytotoxic bicyclic peptides, from a marine sponge Theonella sp.
    Matsunaga S, Fusetani N, Journal of Organic Chemistry , 1995, 60 (5), pp. 1177-1181


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